aquaporin

Dataset with molecular dynamics simulations for the yeast aquaporin (Aqy1) - the gated water channel of the yeast Pichi pastoris.
The dataset contains only the diameter Y of the channel which is used in the data analysis in (Klockmann and Krivobokova, 2023).
The diameter Y is measured by the distance between two centers of mass of certain residues of the protein.
The dataset includes a 100 nanosecond time frame, split into 20000 equidistant observations.
The full dataset, including the Euclidean coordinates of all 783 atoms, is available from the authors.
For more details see (Klockmann, Krivobokova; 2023).

datasets

A nonparametric method to estimate Toeplitz covariance matrices from a sample of n independently and identically distributed p-dimensional vectors with mean zero. The data is preprocessed with the discrete cosine matrix and a variance stabilization transformation to obtain an approximate Gaussian regression setting for the log-spectral density function. Estimates of the spectral density function and the inverse of the covariance matrix are provided as well. Functions for simulating data and a protein data example are included. For details see (Klockmann, Krivobokova; 2023), <arXiv:2303.10018>.

Karolina Klockmann

vstdct

Nonparametric Estimation of Toeplitz Covariance Matrices

Tatyana Krivobokova

aquaporin function

A data frame with 20000 rows and 1 variable:<ul>
<li><code>Y</code>: the diameter of the channel</li>
</ul>

aquaporin: Aquaporin Dataset

Description

Usage

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Examples